Higher-order total variation bounds for expectations of periodic functions and simple integer recourse approximations

We derive bounds on the expectation of a class of periodic functions using the total variations of higher-order derivatives of the underlying probability density function. These bounds are a strict improvement over those of Romeijnders et al. (Math Program 157:3–46, 2016b), and we use them to derive error bounds for convex approximations of simple integer recourse models. In fact, we obtain a hierarchy of error bounds that become tighter if the total variations of additional higher-order derivatives are taken into account. Moreover, each error bound decreases if these total variations become smaller. The improved bounds may be used to derive tighter error bounds for convex approximations of more general recourse models involving integer decision variables.     

Pressure unfolding facilitates the formation of temperature gels

Abstract

The formation of protein aggregates after pressure treatment was investigated by Fourier Transform Infrared Spectroscopy (FTIR). The results show that the pressure unfolded protein ends in a conformation, after the release of the pressure, which has an increased tendency to aggregate, even at temperatures lower than the denaturation temperature of the untreated protein. After pressure pretreatment the infrared spectrum shows the same intermolecular antiparallel β-structure features as observed after a temperature treatment that gives rise to protein gelation. on the other hand, this structure can be destabilized by applying moderate pressures, which are significantly lower than the corresponding denaturation pressure.     

A Titanium(IV)‐Based Metal–Organic Framework Featuring Defect‐Rich Ti‐O Sheets as an Oxidative Desulfurization Catalyst

While titanium‐based metal–organic frameworks (MOFs) have been widely studied for their (photo)catalytic potential, only a few Ti^IV MOFs have been reported owing to the high reactivity of the employed titanium precursors. The synthesis of COK‐47 is now presented, the first Ti carboxylate MOF based on sheets of Ti^IVO₆ octahedra, which can be synthesized with a range of different linkers. COK‐47 can be synthesized as an inherently defective nanoparticulate material, rendering it a highly efficient catalyst for the oxidation of thiophenes. Its structure was determined by continuous rotation electron diffraction and studied in depth by X‐ray total scattering, EXAFS, and solid‐state NMR. Furthermore, its photoactivity was investigated by electron paramagnetic resonance and demonstrated by catalytic photodegradation of rhodamine 6G.     

Measurement-Based Quantum Computation and Undecidable Logic

We establish a connection between measurement-based quantum computation and the field of mathematical logic. We show that the computational power of an important class of quantum states called graph states, representing resources for measurement-based quantum computation, is reflected in the expressive power of (classical) formal logic languages defined on the underlying mathematical graphs. In particular, we show that for all graph state resources which can yield a computational speed-up with respect to classical computation, the underlying graphs—describing the quantum correlations of the states—are associated with undecidable logic theories. Here undecidability is to be interpreted in a sense similar to Gödel’s incompleteness results, meaning that there exist propositions, expressible in the above classical formal logic, which cannot be proven or disproven.     

Nonequilibrium dynamics of anisotropic large spins in the kondo regime: time-dependent numerical renormalization group analysis

We investigate the time-dependent Kondo effect in a single-molecule magnet (SMM) strongly coupled to metallic electrodes. Describing the SMM by a Kondo model with large spin S>1/2, we analyze the underscreening of the local moment and the effect of anisotropy terms on the relaxation dynamics of the magnetization. Underscreening by single-channel Kondo processes leads to a logarithmically slow relaxation, while finite uniaxial anisotropy causes a saturation of the SMM's magnetization. Additional transverse anisotropy terms induce quantum spin tunneling and a pseudospin-1/2 Kondo effect sensitive to the spin parity.     

Determination of cocaine adulterants in human urine by dispersive liquid-liquid microextraction and high-performance liquid chromatography

Analytical and Bioanalytical Chemistry - This study aimed to determine simultaneously five major street cocaine adulterants (caffeine, lidocaine, phenacetin, diltiazem, and hydroxyzine) in human...